General Information of the Compound
| Compound ID |
CP0289974
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| Compound Name |
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-3-ylpyrazol-4-yl)pyridin-2-amine
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| Structure |
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| Formula |
C21H22Cl2FN5O
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| Molecular Weight |
450.345
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| Canonical SMILES |
CC(Oc1cc(cnc1N)-c1cnn(c1)C1CCCNC1)c1c(Cl)ccc(F)c1Cl
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| InChI |
InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)4-5-17(24)20(19)23)30-18-7-13(8-27-21(18)25)14-9-28-29(11-14)15-3-2-6-26-10-15/h4-5,7-9,11-12,15,26H,2-3,6,10H2,1H3,(H2,25,27)
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| InChIKey |
WRFQMXGREAFPSC-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound